N-(6-bromo-2-ethyl-3-pyridinyl)methanesulfonamide;N-(6-bromo-2-fluoro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide;5-bromo-3-methyltriazole-4-carboxylic acid;5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;[(1S)-2-fluoro-1-phenylethyl] 2-[5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate

C52H62Br3F2N17O16S5 — CID 159247182

About N-(6-bromo-2-ethyl-3-pyridinyl)methanesulfonamide;N-(6-bromo-2-fluoro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide;5-bromo-3-methyltriazole-4-carboxylic acid;5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;[(1S)-2-fluoro-1-phenylethyl] 2-[5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate

N-(6-bromo-2-ethyl-3-pyridinyl)methanesulfonamide;N-(6-bromo-2-fluoro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide;5-bromo-3-methyltriazole-4-carboxylic acid;5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;[(1S)-2-fluoro-1-phenylethyl] 2-[5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate (PubChem CID 159247182) has the molecular formula C52H62Br3F2N17O16S5 and a molecular weight of 1619.21 g/mol. Its IUPAC name is N-(6-bromo-2-ethyl-3-pyridinyl)methanesulfonamide;N-(6-bromo-2-fluoro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide;5-bromo-3-methyltriazole-4-carboxylic acid;5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;[(1S)-2-fluoro-1-phenylethyl] 2-[5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate.

Molecular Properties

• Compound Name: N-(6-bromo-2-ethyl-3-pyridinyl)methanesulfonamide;N-(6-bromo-2-fluoro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide;5-bromo-3-methyltriazole-4-carboxylic acid;5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;[(1S)-2-fluoro-1-phenylethyl] 2-[5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate
• PubChem CID: 159247182
• Molecular Formula: C52H62Br3F2N17O16S5
• Molecular Weight: 1619.21 g/mol
• Exact Mass: 1615.07
• IUPAC Name: N-(6-bromo-2-ethyl-3-pyridinyl)methanesulfonamide;N-(6-bromo-2-fluoro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide;5-bromo-3-methyltriazole-4-carboxylic acid;5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;[(1S)-2-fluoro-1-phenylethyl] 2-[5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate
• SMILES: CCc1nc(-c2nnn(C)c2C(=O)O)ccc1NS(C)(=O)=O.CCc1nc(-c2nnn(C)c2CC(=O)O[C@H](CF)c2ccccc2)ccc1NS(C)(=O)=O.CCc1nc(Br)ccc1NS(C)(=O)=O.CS(=O)(=O)N(c1ccc(Br)nc1F)S(C)(=O)=O.Cn1nnc(Br)c1C(=O)O
• InChI: InChI=1S/C21H24FN5O4S.C12H15N5O4S.C8H11BrN2O2S.C7H8BrFN2O4S2.C4H4BrN3O2/c1-4-15-16(25-32(3,29)30)10-11-17(23-15)21-18(27(2)26-24-21)12-20(28)31-19(13-22)14-8-6-5-7-9-14;1-4-7-8(15-22(3,20)21)5-6-9(13-7)10-11(12(18)19)17(2)16-14-10;1-3-6-7(11-14(2,12)13)4-5-8(9)10-6;1-16(12,13)11(17(2,14)15)5-3-4-6(8)10-7(5)9;1-8-2(4(9)10)3(5)6-7-8/h5-11,19,25H,4,12-13H2,1-3H3;5-6,15H,4H2,1-3H3,(H,18,19);4-5,11H,3H2,1-2H3;3-4H,1-2H3;1H3,(H,9,10)/t19-;;;;/m1..../s1
• InChIKey: KUVDCKLHGOYDLC-MXFMKSRJSA-N
• XLogP: 5.88
• TPSA: 454.62 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1619.21
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-ethyl-3-pyridinyl)methanesulfonamide;N-(6-bromo-2-fluoro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide;5-bromo-3-methyltriazole-4-carboxylic acid;5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;[(1S)-2-fluoro-1-phenylethyl] 2-[5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate?

The IUPAC name of N-(6-bromo-2-ethyl-3-pyridinyl)methanesulfonamide;N-(6-bromo-2-fluoro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide;5-bromo-3-methyltriazole-4-carboxylic acid;5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;[(1S)-2-fluoro-1-phenylethyl] 2-[5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate (CID 159247182) is N-(6-bromo-2-ethyl-3-pyridinyl)methanesulfonamide;N-(6-bromo-2-fluoro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide;5-bromo-3-methyltriazole-4-carboxylic acid;5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;[(1S)-2-fluoro-1-phenylethyl] 2-[5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate.

What is the SMILES notation for N-(6-bromo-2-ethyl-3-pyridinyl)methanesulfonamide;N-(6-bromo-2-fluoro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide;5-bromo-3-methyltriazole-4-carboxylic acid;5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;[(1S)-2-fluoro-1-phenylethyl] 2-[5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate?

The canonical SMILES for N-(6-bromo-2-ethyl-3-pyridinyl)methanesulfonamide;N-(6-bromo-2-fluoro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide;5-bromo-3-methyltriazole-4-carboxylic acid;5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;[(1S)-2-fluoro-1-phenylethyl] 2-[5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate is CCc1nc(-c2nnn(C)c2C(=O)O)ccc1NS(C)(=O)=O.CCc1nc(-c2nnn(C)c2CC(=O)O[C@H](CF)c2ccccc2)ccc1NS(C)(=O)=O.CCc1nc(Br)ccc1NS(C)(=O)=O.CS(=O)(=O)N(c1ccc(Br)nc1F)S(C)(=O)=O.Cn1nnc(Br)c1C(=O)O.

What is the InChIKey of N-(6-bromo-2-ethyl-3-pyridinyl)methanesulfonamide;N-(6-bromo-2-fluoro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide;5-bromo-3-methyltriazole-4-carboxylic acid;5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;[(1S)-2-fluoro-1-phenylethyl] 2-[5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate?

The InChIKey is KUVDCKLHGOYDLC-MXFMKSRJSA-N. The full InChI is InChI=1S/C21H24FN5O4S.C12H15N5O4S.C8H11BrN2O2S.C7H8BrFN2O4S2.C4H4BrN3O2/c1-4-15-16(25-32(3,29)30)10-11-17(23-15)21-18(27(2)26-24-21)12-20(28)31-19(13-22)14-8-6-5-7-9-14;1-4-7-8(15-22(3,20)21)5-6-9(13-7)10-11(12(18)19)17(2)16-14-10;1-3-6-7(11-14(2,12)13)4-5-8(9)10-6;1-16(12,13)11(17(2,14)15)5-3-4-6(8)10-7(5)9;1-8-2(4(9)10)3(5)6-7-8/h5-11,19,25H,4,12-13H2,1-3H3;5-6,15H,4H2,1-3H3,(H,18,19);4-5,11H,3H2,1-2H3;3-4H,1-2H3;1H3,(H,9,10)/t19-;;;;/m1..../s1.

What are the key properties of N-(6-bromo-2-ethyl-3-pyridinyl)methanesulfonamide;N-(6-bromo-2-fluoro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide;5-bromo-3-methyltriazole-4-carboxylic acid;5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;[(1S)-2-fluoro-1-phenylethyl] 2-[5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate?

N-(6-bromo-2-ethyl-3-pyridinyl)methanesulfonamide;N-(6-bromo-2-fluoro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide;5-bromo-3-methyltriazole-4-carboxylic acid;5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;[(1S)-2-fluoro-1-phenylethyl] 2-[5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate has a molecular weight of 1619.21 g/mol, XLogP of 5.88, 21 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-(6-bromo-2-ethyl-3-pyridinyl)methanesulfonamide;N-(6-bromo-2-fluoro-3-pyridinyl)-N-methylsulfonylmethanesulfonamide;5-bromo-3-methyltriazole-4-carboxylic acid;5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazole-4-carboxylic acid;[(1S)-2-fluoro-1-phenylethyl] 2-[5-[6-ethyl-5-(methanesulfonamido)-2-pyridinyl]-3-methyltriazol-4-yl]acetate is sourced from PubChem (CID 159247182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).